4-azanyl-2-[[2-(cyanomethylsulfanyl)phenyl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[[2-(cyanomethylsulfanyl)phenyl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[2-(cyanomethylsulfanyl)benzoyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[[2-(cyanomethylthio)phenyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[2-(cyanomethylsulfanyl)benzoyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[2-(cyanomethylthio)benzoyl]amino]-4-keto-butyric acid Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(CC(=O)N)C(=O)O)SCC#N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(CC(=O)N)C(=O)O)SCC#N

InChI

InChI=1S/C13H13N3O4S/c14-5-6-21-10-4-2-1-3-8(10)12(18)16-9(13(19)20)7-11(15)17/h1-4,9H,6-7H2,(H2,15,17)(H,16,18)(H,19,20)